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98136-62-0 | 2-AMINO-6-CHLORO-1H-PURIN-8(7H)-ONE
CAS No: 98136-62-0 Catalog No: AG01FMWT MDL No:
Product Description
Catalog Number:
AG01FMWT
Chemical Name:
2-AMINO-6-CHLORO-1H-PURIN-8(7H)-ONE
CAS Number:
98136-62-0
IUPAC Name:
2-amino-6-chloro-7,9-dihydropurin-8-one
InChI:
InChI=1S/C5H4ClN5O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H4,7,8,9,10,11,12)
InChI Key:
BACXFRHGEVIZPV-UHFFFAOYSA-N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.571g/mol
Monoisotopic Mass:
185.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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